2-[[3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-fluoranyl-phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium dibromide

Systemtic Name: 2-[[3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-fluoranyl-phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium dibromide Openeye Name: 2-[[3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-fluoro-phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium dibromide CAS Name: 2-[[3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)methyl]-2-fluorophenyl]methylthio]-4,5-dihydro-1H-imidazol-3-ium dibromide IUPAC Name: 2-[[3-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanylmethyl)-2-fluorophenyl]methylsulfanyl]-4,5-dihydro-1H-imidazol-3-ium dibromide Traditional Name: 2-[[2-fluoro-3-[(2-imidazolin-1-ium-2-ylthio)methyl]benzyl]thio]-2-imidazolin-1-ium dibromide Formula: C14H19Br2FN4S2 MolecularWeight: 486.263863

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SCC2=C(C(=CC=C2)CSC3=[NH+]CCN3)F.[Br-].[Br-]

Isomeric SMILES

C1C[NH+]=C(N1)SCC2=C(C(=CC=C2)CSC3=[NH+]CCN3)F.[Br-].[Br-]

InChI

InChI=1S/C14H17FN4S2.2BrH/c15-12-10(8-20-13-16-4-5-17-13)2-1-3-11(12)9-21-14-18-6-7-19-14;;/h1-3H,4-9H2,(H,16,17)(H,18,19);2*1H